N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

C12H11F2N5O2 — CID 2323526

IUPACN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN=Cc1ccccc1OC(F)F
InChIInChI=1S/C12H11F2N5O2/c13-12(14)21-10-4-2-1-3-9(10)5-16-18-11(20)6-19-8-15-7-17-19/h1-5,7-8,12H,6H2,(H,18,20)
InChIKeyFZEVCPWYHNXXLM-UHFFFAOYSA-N
MW295.25 g/mol
LogP1.03
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 2323526) has the molecular formula C12H11F2N5O2 and a molecular weight of 295.25 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID2323526
Molecular FormulaC12H11F2N5O2
Molecular Weight295.25 g/mol
Exact Mass295.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)NN=Cc1ccccc1OC(F)F
InChIInChI=1S/C12H11F2N5O2/c13-12(14)21-10-4-2-1-3-9(10)5-16-18-11(20)6-19-8-15-7-17-19/h1-5,7-8,12H,6H2,(H,18,20)
InChIKeyFZEVCPWYHNXXLM-UHFFFAOYSA-N
XLogP1.03
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide (CID 2323526) is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)NN=Cc1ccccc1OC(F)F.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FZEVCPWYHNXXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N5O2/c13-12(14)21-10-4-2-1-3-9(10)5-16-18-11(20)6-19-8-15-7-17-19/h1-5,7-8,12H,6H2,(H,18,20).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 295.25 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 2323526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).